Microscopic Dynamics and Viscoelasticity of Vitrimers

We implement a hybrid molecular dynamics/Monte Carlo simulation to study the microscopic dynamics and macroscopic rheology of vitrimers with fast bond exchange rate. show that linear viscoelastic properties mean squared displacement collapse onto master curves by applying same shift factors follow Williams–Landel–Ferry equation at low temperatures Arrhenius-like behavior high temperatures. The linkage between is established using generalized Stokes–Einstein relationship, which efficiently extends timescale simulations predicts viscoelasticity. values are related characteristic decay time intermediate scattering function, accessible in experiments. results hold case an all-atom model ionic liquid. Our methodology provides basis for time-superposition principle thermo-rheologically simple vitrimers.